SCHEMBL7902391

SCHEMBL7902391

CCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCF)CC4)cc3F)c(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 3/20 0.36
TP53 P04637 4/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 2/20 0.34
ESR2 Q92731 1/20 0.34
FASN P49327 1/20 0.34
GAA P10253 2/20 0.33
SGPL1 O95470 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7902394 1.00 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11114554 0.94 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11114552 0.94 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11117880 0.90 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11117883 0.90 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7916037 0.90 SPHK1 (0.37) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7916034 0.90 SPHK1 (0.37) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7915918 0.89 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7915916 0.89 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11117176 0.89 SPHK1 (0.40) CYP2C9MAPTALDH1A1LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed